1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide

C17H22N4O3S — CID 5308284

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1
InChIInChI=1S/C17H22N4O3S/c1-13(14-6-3-2-4-7-14)20-17(22)15-8-5-9-21(11-15)25(23,24)16-10-18-12-19-16/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3,(H,18,19)(H,20,22)
InChIKeyGRDAKOADXOPTRI-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.69
Rot. Bonds5

About 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 5308284) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID5308284
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1
InChIInChI=1S/C17H22N4O3S/c1-13(14-6-3-2-4-7-14)20-17(22)15-8-5-9-21(11-15)25(23,24)16-10-18-12-19-16/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3,(H,18,19)(H,20,22)
InChIKeyGRDAKOADXOPTRI-UHFFFAOYSA-N
XLogP1.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide (CID 5308284) is 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is GRDAKOADXOPTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-13(14-6-3-2-4-7-14)20-17(22)15-8-5-9-21(11-15)25(23,24)16-10-18-12-19-16/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).